1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide

C27H33N7O — CID 90259016

IUPAC1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide
SMILESCN(C(=O)C1CCCN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2)c1ccccc1
InChIInChI=1S/C27H33N7O/c1-33(19-11-3-2-4-12-19)26(35)23-15-8-16-34(23)27-28-21-14-7-13-20(21)25(30-27)29-24-17-22(31-32-24)18-9-5-6-10-18/h2-4,11-12,17-18,23H,5-10,13-16H2,1H3,(H2,28,29,30,31,32)
InChIKeyDOJUCMSPZCAKEK-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.72
Rot. Bonds6

About 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide

1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide (PubChem CID 90259016) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide
PubChem CID90259016
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide
SMILESCN(C(=O)C1CCCN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2)c1ccccc1
InChIInChI=1S/C27H33N7O/c1-33(19-11-3-2-4-12-19)26(35)23-15-8-16-34(23)27-28-21-14-7-13-20(21)25(30-27)29-24-17-22(31-32-24)18-9-5-6-10-18/h2-4,11-12,17-18,23H,5-10,13-16H2,1H3,(H2,28,29,30,31,32)
InChIKeyDOJUCMSPZCAKEK-UHFFFAOYSA-N
XLogP4.72
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide (CID 90259016) is 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide is CN(C(=O)C1CCCN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2)c1ccccc1.
What is the InChIKey of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is DOJUCMSPZCAKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-33(19-11-3-2-4-12-19)26(35)23-15-8-16-34(23)27-28-21-14-7-13-20(21)25(30-27)29-24-17-22(31-32-24)18-9-5-6-10-18/h2-4,11-12,17-18,23H,5-10,13-16H2,1H3,(H2,28,29,30,31,32).
What are the key properties of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide?
1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 90259016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).